HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,4,5-Tetrahydro-3-methyl-1-benzothiepine
Identifiers & Physical Properties
| Molecular formula | C11H14S |
|---|---|
| Average molar mass | 178.3 g/mol |
| Monoisotopic mass | 178.08162162 g/mol |
| SMILES | CC1CCc2ccccc2SC1 |
| InChIKey | OAQBJQVJIAMJBK-UHFFFAOYSA-N |
| PubChem CID | 19935430 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 25.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 144 |